chempirical

2-(Trifluoromethyl)-1H-benzimidazole

C8H5F3N2CAS 312-73-2186.14 g/mol

Open in Covalent MOL file
FFFNNH
Alkyl halide

Properties

Molecular formula
C8H5F3N2
Molar mass
186.14 g/mol
Exact mass
186.0405 Da
Melting point
209.5 °C
logP
2.58Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
312-73-2
SMILES
FC(F)(F)c1nc2ccccc2[nH]1
InChIKey
MXFMPTXDHSDMTI-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)

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Names and synonyms

8 names
  • 1H-Benzimidazole, 2-(trifluoromethyl)-
  • Benzimidazole, 2-(trifluoromethyl)-
  • 2-(Trifluoromethyl)benzimidazole
  • NSC 512765
  • NSC 97013
  • 2-(Trifluoromethyl)-1H-1,3-benzodiazole
  • 2-(Trifluoromethyl)-1H-benzo[d]imidazole
  • 2-Trifluoromethyl-1H-benzoimidazole

Work with 2-(Trifluoromethyl)-1H-benzimidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Amino-2-(trifluoromethyl)benzimidazole3671-66-757 % similar 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole327-19-549 % similar 1H-Benzimidazole-2-methanol4856-97-748 % similar 2-Phenylbenzimidazole716-79-048 % similar 2-Chlorobenzimidazole4857-06-147 % similar Mercaptobenzimidazole583-39-147 % similar 2-Methylbenzimidazole615-15-647 % similar 2-Benzimidazolinone615-16-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Amino-4-(trifluoromethyl)benzonitrile1483-54-1 2-Amino-3-(trifluoromethyl)benzonitrile58458-14-3 4-Cyano-3-(trifluoromethyl)aniline654-70-6

Elsewhere

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